hexanal (aldehyde C-6)
caproic aldehyde
Identification
| Name | hexanal (aldehyde C-6) |
| IUPAC | hexanal |
| CAS Number | 66-25-1 |
| EINECS | 200-624-5 |
| FDA UNII | 9DC2K31JJQ |
| Molecular Formula | C6 H12 O |
| Molecular Weight | 100.16084000 |
| MDL Number | MFCD00007027 |
| Nikkaji Number | J1.409E |
| Beilstein | 0506198 |
| CoE Number | 96 |
| XlogP3 | 1.80 (est) |
Regulatory
| JECFA Food Flavoring | 92 hexanal |
| DG SANTE Food Flavourings | 05.008 hexanal |
| FEMA Number | 2557 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 66-25-1 ; HEXANAL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.81200 to 0.82200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.757 to 6.840 |
| Refractive Index | 1.39900 to 1.40900 @ 20.00 °C. |
| Melting Point | -56.00 °C. @ 760.00 mm Hg |
| Boiling Point | 130.00 to 131.00 °C. @ 760.00 mm Hg |
| Acid Value | 7.00 max. KOH/g |
| Vapor Pressure | 10.888000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 1.01 ( Air = 1 ) |
| Flash Point | 90.00 °F. TCC ( 32.22 °C. ) |
| logP (o/w) | 1.780 |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | cream |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | fragrance |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 4 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. at 2.00 %. An intense green, fruity, aldehydic odor Aldehydic, Fatty, Green, Powerful green, fruity, aldehydic
|
| Odor sample from | Givaudan Corporation |
| Taste Description |
at 2.50 ppm. green leafy, fruity, green apple like Classic aldehyde notes green grassy sharp unripe or raw fruit and green vegetable
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 1 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 4890 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-rat TCLo 2000 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for hexanal (aldehyde C-6) usage levels up to | 0.5000 % in the fragrance concentrate. |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | 2.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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